methyl (E)-5-[(1S,2S)-1-methyl-2-oxidanyl-6-oxidanylidene-cyclohexyl]pent-2-enoate

Systemtic Name: methyl (E)-5-[(1S,2S)-1-methyl-2-oxidanyl-6-oxidanylidene-cyclohexyl]pent-2-enoate Openeye Name: methyl (E)-5-[(1S,2S)-2-hydroxy-1-methyl-6-oxo-cyclohexyl]pent-2-enoate CAS Name: (E)-5-[(1S,2S)-2-hydroxy-1-methyl-6-oxocyclohexyl]-2-pentenoic acid methyl ester IUPAC Name: methyl (E)-5-[(1S,2S)-2-hydroxy-1-methyl-6-oxocyclohexyl]pent-2-enoate Traditional Name: (E)-5-[(1S,2S)-2-hydroxy-6-keto-1-methyl-cyclohexyl]pent-2-enoic acid methyl ester Formula: C13H20O4 MolecularWeight: 240.2955

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCCC1=O)O)CCC=CC(=O)OC

Isomeric SMILES

C[C@@]1([C@H](CCCC1=O)O)CC/C=C/C(=O)OC

InChI

InChI=1S/C13H20O4/c1-13(9-4-3-8-12(16)17-2)10(14)6-5-7-11(13)15/h3,8,10,14H,4-7,9H2,1-2H3/b8-3+/t10-,13-/m0/s1